3 papers
physics.chem-ph2025
Performance of Automatic Active Space Selection for Electronic Excitation Energies
Reza G. Shirazi, Alexander Zech, Peter Pinski +1
Computation of electronic spectra is one of the most important applications of methods capturing static electron correlation, including complete-active-space self-consistent field…
quant-ph2025
What is a good use case for quantum computers?
Michael Marthaler, Peter Pinski, Vladimir Rybkin +3
Identify, Transform, Benchmark, Show Quantum Advantage (ITBQ): Evaluating use cases for quantum computers. We introduce a four-step framework for assessing quantum computing applic…
cond-mat.str-el2025
A method to derive material-specific spin-bath model descriptions of materials displaying prevalent spin physics
Benedikt M. Schoenauer, Nicklas Enenkel, Florian G. Eich +4
Magnetism and spin physics are true quantum mechanical effects and their description usually requires multi reference methods and is often hidden in the standard description of mol…